2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide

C24H26ClN5O3S — CID 11318014

IUPAC2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)s2)c2ccccc2)cc1
InChIInChI=1S/C24H26ClN5O3S/c1-29(2)15-21(31)30(3)18-11-9-17(10-12-18)26-23(32)22(16-7-5-4-6-8-16)28-24(33)27-20-14-13-19(25)34-20/h4-14,22H,15H2,1-3H3,(H,26,32)(H2,27,28,33)
InChIKeyMLAWHOJRLGTUBG-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.43
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide

2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide (PubChem CID 11318014) has the molecular formula C24H26ClN5O3S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide
PubChem CID11318014
Molecular FormulaC24H26ClN5O3S
Molecular Weight500.02 g/mol
Exact Mass499.14
IUPAC Name2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)s2)c2ccccc2)cc1
InChIInChI=1S/C24H26ClN5O3S/c1-29(2)15-21(31)30(3)18-11-9-17(10-12-18)26-23(32)22(16-7-5-4-6-8-16)28-24(33)27-20-14-13-19(25)34-20/h4-14,22H,15H2,1-3H3,(H,26,32)(H2,27,28,33)
InChIKeyMLAWHOJRLGTUBG-UHFFFAOYSA-N
XLogP4.43
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[(E)-N'-methoxy-N,N-dimethylcarbamimidoyl]phenyl]-2-phenylacetamide
CID 87856277
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide
CID 11317340
(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 10096868
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropyl]phenyl]-2-phenylacetamide
CID 11238504
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 11190555
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-imino-5-methyl-1,3,4-thiadiazol-3-yl)phenyl]-2-phenylacetamide
CID 21088795
N-[4-[acetyl(methyl)amino]phenyl]-2-phenylpentanamide
CID 86857745
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide (CID 11318014) is 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide is CN(C)CC(=O)N(C)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)s2)c2ccccc2)cc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide?
The InChIKey is MLAWHOJRLGTUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3S/c1-29(2)15-21(31)30(3)18-11-9-17(10-12-18)26-23(32)22(16-7-5-4-6-8-16)28-24(33)27-20-14-13-19(25)34-20/h4-14,22H,15H2,1-3H3,(H,26,32)(H2,27,28,33).
What are the key properties of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide?
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide has a molecular weight of 500.02 g/mol, XLogP of 4.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 11318014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).